1-methyl-4-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-quinoline-3-carboxylic acid CAS Name: 1-methyl-4-(4-methyl-1-piperazinyl)-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-4-(4-methylpiperazin-1-yl)-2-oxoquinoline-3-carboxylic acid Traditional Name: 2-keto-1-methyl-4-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-17-7-9-19(10-8-17)14-11-5-3-4-6-12(11)18(2)15(20)13(14)16(21)22/h3-6H,7-10H2,1-2H3,(H,21,22)